5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane

C97H114BCl3N8O10 — CID 157285418

About 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane (PubChem CID 157285418) has the molecular formula C97H114BCl3N8O10 and a molecular weight of 1669.20 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane.

Molecular Properties

• Compound Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane
• PubChem CID: 157285418
• Molecular Formula: C97H114BCl3N8O10
• Molecular Weight: 1669.20 g/mol
• Exact Mass: 1666.78
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(C)cc2C)c1-c1ccc2c(c1)CCCC2.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(CC(C)C)C2.CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc2c(c1)CCN(CC(C)C)C2.ClB(Cl)Cl
• InChI: InChI=1S/C42H47N3O4.C28H35N3O4.C27H32N2O2.BCl3/c1-6-43-42(46)40-39(33-17-18-34-25-45(24-28(2)3)20-19-32(34)21-33)41(49-44-40)36-22-35(29(4)5)37(47-26-30-13-9-7-10-14-30)23-38(36)48-27-31-15-11-8-12-16-31;1-6-29-28(34)26-25(19-7-8-20-15-31(14-16(2)3)10-9-18(20)11-19)27(35-30-26)22-12-21(17(4)5)23(32)13-24(22)33;1-6-28-27(30)25-24(21-12-11-19-9-7-8-10-20(19)14-21)26(31-29-25)23-15-22(16(2)3)17(4)13-18(23)5;2-1(3)4/h7-18,21-23,28-29H,6,19-20,24-27H2,1-5H3,(H,43,46);7-8,11-13,16-17,32-33H,6,9-10,14-15H2,1-5H3,(H,29,34);11-16H,6-10H2,1-5H3,(H,28,30)
• InChIKey: BAEGMJXWFMZTHS-UHFFFAOYSA-N
• XLogP: 22.43
• TPSA: 230.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.20
LogP ≤ 5	22.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane?

The IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane (CID 157285418) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane.

What is the SMILES notation for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane?

The canonical SMILES for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane is CCNC(=O)c1noc(-c2cc(C(C)C)c(C)cc2C)c1-c1ccc2c(c1)CCCC2.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(CC(C)C)C2.CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc2c(c1)CCN(CC(C)C)C2.ClB(Cl)Cl.

What is the InChIKey of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane?

The InChIKey is BAEGMJXWFMZTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47N3O4.C28H35N3O4.C27H32N2O2.BCl3/c1-6-43-42(46)40-39(33-17-18-34-25-45(24-28(2)3)20-19-32(34)21-33)41(49-44-40)36-22-35(29(4)5)37(47-26-30-13-9-7-10-14-30)23-38(36)48-27-31-15-11-8-12-16-31;1-6-29-28(34)26-25(19-7-8-20-15-31(14-16(2)3)10-9-18(20)11-19)27(35-30-26)22-12-21(17(4)5)23(32)13-24(22)33;1-6-28-27(30)25-24(21-12-11-19-9-7-8-10-20(19)14-21)26(31-29-25)23-15-22(16(2)3)17(4)13-18(23)5;2-1(3)4/h7-18,21-23,28-29H,6,19-20,24-27H2,1-5H3,(H,43,46);7-8,11-13,16-17,32-33H,6,9-10,14-15H2,1-5H3,(H,29,34);11-16H,6-10H2,1-5H3,(H,28,30);.

What are the key properties of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane?

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane has a molecular weight of 1669.20 g/mol, XLogP of 22.43, 25 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane is sourced from PubChem (CID 157285418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).